[Pw_forum] FW: The corresponding WZ mode of the Phonons frequencies obtained???

BENYAHIA NEZHA benyahia-nezha at hotmail.fr
Mon Aug 4 23:13:54 CEST 2014



From: benyahia-nezha at hotmail.fr
To: pw_forum at pwscf.org
Subject: FW: The  corresponding WZ mode of the Phonons frequencies obtained???
Date: Sun, 20 Jul 2014 23:24:27 +0100






From: benyahia-nezha at hotmail.fr
To: pw_forum at pwscf.org
Subject: The  corresponding WZ mode of the Phonons frequencies obtained???
Date: Wed, 16 Jul 2014 14:28:41 +0100





Dear quantum esspresso developers,
I have calculated phonon frequencies of the AlSb on the wurtzite structure at the G,K points of hight symmetry, i obtained these frequencies  at     G      0.00       0.00       0.00      47.02      47.02     151.73     310.79     310.79     316.32     319.33     328.36     335.35and k     81.04      83.45      89.83      90.68     129.95     138.88     294.87     299.38     300.65     302.13     305.12  316.96
My problem is that i dont know how to attribute these frequencies to their corresponding Wurtzite modes (A1(LO),E1(LO), A1(TO),E1(TO), E2h,,,,etc). To be more clear for example the frequency 328.36 corresponds to which mode????????I'll be you so grateful if you help. 
regardsNh Ben. 		 	   		   		 	   		   		 	   		  
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